SCHEMBL4288111

SCHEMBL4288111

CC(=O)OCc1cc(O)c(Cc2ccc(C3CC3)cc2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 1/20 0.35
QDPR P09417 2/20 0.34
SLC18A3 Q16572 2/20 0.34
ESR2 Q92731 1/20 0.34
NAAA Q02083 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4289375 0.84 HTR2A (0.41) IDH1CYP3A4ALDH1A1NAAA
SCHEMBL4286864 0.84 IDH1 (0.41) IDH1CYP3A4ALDH1A1
SCHEMBL4286495 0.84 IDH1 (0.41) IDH1CYP3A4ALDH1A1
SCHEMBL4289255 0.83 CYP3A4 (0.47) IDH1CYP3A4ALDH1A1QDPRSLC18A3
SCHEMBL4291912 0.82 NFKB1 (0.42) IDH1CYP3A4ALDH1A1
SCHEMBL4285009 0.81 CYP3A4 (0.36) CYP3A4ALDH1A1QDPRSLC18A3ESR2
SCHEMBL4285014 0.80 CYP3A4 (0.35) CYP3A4SLC18A3ESR2FFAR4MRGPRX4
SCHEMBL4279412 0.80 MAPT (0.43) IDH1ALDH1A1
SCHEMBL4285320 0.79 POLB (0.44) IDH1ALDH1A1
SCHEMBL4279693 0.78 SLC5A1 (0.45) IDH1ALDH1A1NAAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101472937-A Benzylphenylglucopyranoside Derivatives DAIICHI SANKYO CO LTD (JP) 2009-07-01 CN disclosed
US-20090137499-A1 BENZYLPHENYL GLUCOPYRANOSIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-05-28 US disclosed
EP-2048150-A1 BENZYL PHENYL GLUCOPYRANOSIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-04-15 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090137499-A1 BENZYLPHENYL GLUCOPYRANOSIDE DERIVATIVE SLC5A1, SLC5A2, SLC2A1 IDH1 722/4885CYP3A4 534/4885ALDH1A1 896/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.